(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

C12H18N4S — CID 166265063

IUPAC(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC(NC1=NC[C@H]2CCCCN12)c1ccns1
InChIInChI=1S/C12H18N4S/c1-9(11-5-6-14-17-11)15-12-13-8-10-4-2-3-7-16(10)12/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15)/t9?,10-/m1/s1
InChIKeyYVAMCJHPBMBHPB-QVDQXJPCSA-N
MW250.37 g/mol
LogP2.02
Rot. Bonds2

About (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (PubChem CID 166265063) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
PubChem CID166265063
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC(NC1=NC[C@H]2CCCCN12)c1ccns1
InChIInChI=1S/C12H18N4S/c1-9(11-5-6-14-17-11)15-12-13-8-10-4-2-3-7-16(10)12/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15)/t9?,10-/m1/s1
InChIKeyYVAMCJHPBMBHPB-QVDQXJPCSA-N
XLogP2.02
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The IUPAC name of (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (CID 166265063) is (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.
What is the SMILES notation for (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The canonical SMILES for (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is CC(NC1=NC[C@H]2CCCCN12)c1ccns1.
What is the InChIKey of (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The InChIKey is YVAMCJHPBMBHPB-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(11-5-6-14-17-11)15-12-13-8-10-4-2-3-7-16(10)12/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15)/t9?,10-/m1/s1.
What are the key properties of (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine has a molecular weight of 250.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 166265063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).